N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C22H27N3O4 — CID 30358132

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCCCc2nc3ccccc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C22H27N3O4/c1-27-18-13-15(14-19(28-2)22(18)29-3)10-11-21(26)23-12-6-9-20-24-16-7-4-5-8-17(16)25-20/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyBHLKEPKYXFFPFA-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.27
Rot. Bonds10

About N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 30358132) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID30358132
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCCCc2nc3ccccc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C22H27N3O4/c1-27-18-13-15(14-19(28-2)22(18)29-3)10-11-21(26)23-12-6-9-20-24-16-7-4-5-8-17(16)25-20/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyBHLKEPKYXFFPFA-UHFFFAOYSA-N
XLogP3.27
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 30358126
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 21008938
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55344683
3-(1H-benzimidazol-2-yl)-N-[(3-chloro-4,5-dimethoxyphenyl)methyl]propan-1-amine
CID 66528565
N-(1H-benzimidazol-2-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 18105005
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 24612830
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
CID 29303584
3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide
CID 42123055
3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 18145899
N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119430660
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 30358132) is N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NCCCc2nc3ccccc3[nH]2)cc(OC)c1OC.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is BHLKEPKYXFFPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-27-18-13-15(14-19(28-2)22(18)29-3)10-11-21(26)23-12-6-9-20-24-16-7-4-5-8-17(16)25-20/h4-5,7-8,13-14H,6,9-12H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 397.48 g/mol, XLogP of 3.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 30358132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).